2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine

C7H8BrNO — CID 20567906

IUPAC2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine
SMILESBrC1=C2C=CC(=C1)C2.NO
InChIInChI=1S/C7H5Br.H3NO/c8-7-4-5-1-2-6(7)3-5;1-2/h1-2,4H,3H2;2H,1H2
InChIKeyHSFBTOMDFQXFCR-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.87
Rot. Bonds

About 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine

2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine (PubChem CID 20567906) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine.

Molecular Properties

Compound Name2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine
PubChem CID20567906
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine
SMILESBrC1=C2C=CC(=C1)C2.NO
InChIInChI=1S/C7H5Br.H3NO/c8-7-4-5-1-2-6(7)3-5;1-2/h1-2,4H,3H2;2H,1H2
InChIKeyHSFBTOMDFQXFCR-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine?
The IUPAC name of 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine (CID 20567906) is 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine.
What is the SMILES notation for 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine?
The canonical SMILES for 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine is BrC1=C2C=CC(=C1)C2.NO.
What is the InChIKey of 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine?
The InChIKey is HSFBTOMDFQXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br.H3NO/c8-7-4-5-1-2-6(7)3-5;1-2/h1-2,4H,3H2;2H,1H2.
What are the key properties of 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine?
2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine has a molecular weight of 202.05 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine is sourced from PubChem (CID 20567906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).